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11 similar compounds to monomer 50089672

Wt: 510.5
BDBM50089668
Wt: 496.5
BDBM50089670
Wt: 522.5
BDBM50089671
Wt: 486.4
BDBM50089630
Wt: 447.4
BDBM50089634
Wt: 600.6
BDBM50089645
Wt: 600.6
BDBM50089646
Wt: 471.4
BDBM50089649
Wt: 538.6
BDBM50089665
Wt: 522.5
BDBM50089631
Wt: 512.5
BDBM50089661

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50089668,50089670,50089671,50089630,50089634,50089645,50089646,50089649,50089665,50089631,50089661   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclooxygenase


(Homo sapiens (human))
BDBM50089646
PNG
(CHEMBL3576981)
Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1/C31H28N4O7S/c1-19-11-13-21(14-12-19)43(40,41)35-18-24(23-8-4-6-10-27(23)35)29(37)30(38)33-17-28(36)34-26(31(39)42-2)15-20-16-32-25-9-5-3-7-22(20)25/h3-14,16,18,26,32H,15,17H2,1-2H3,(H,33,38)(H,34,36)/t26-/s2
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1.34E+3n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX-2 by UV-Visible spectrophotometry


Eur J Med Chem 97: 104-23 (2015)

More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50089649
PNG
(CHEMBL3576977)
Show SMILES COC(=O)CNC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H21N3O7S/c1-14-7-9-15(10-8-14)33(30,31)25-13-17(16-5-3-4-6-18(16)25)21(28)22(29)24-11-19(26)23-12-20(27)32-2/h3-10,13H,11-12H2,1-2H3,(H,23,26)(H,24,29)
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4.66E+3n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX-2 by UV-Visible spectrophotometry


Eur J Med Chem 97: 104-23 (2015)

More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50089634
PNG
(CHEMBL3578273)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(F)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C25H19F2N3O3/c1-15(17-7-9-18(26)10-8-17)30-23(31)25(33-24(30)32,14-16-5-3-2-4-6-16)22-28-20-12-11-19(27)13-21(20)29-22/h2-13,15H,14H2,1H3,(H,28,29)/t15-,25-/s2
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n/an/a 230n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50089631
PNG
(CHEMBL3578276)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H23FN4O5S/c1-16(18-8-10-19(27)11-9-18)31-24(32)26(36-25(31)33,15-17-6-4-3-5-7-17)23-28-21-13-12-20(14-22(21)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/s2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor expressed in CHOK1 cells assessed as inhibition of dexamethasone-induced protein interaction wit...


ACS Med Chem Lett 6: 461-5 (2015)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50089631
PNG
(CHEMBL3578276)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H23FN4O5S/c1-16(18-8-10-19(27)11-9-18)31-24(32)26(36-25(31)33,15-17-6-4-3-5-7-17)23-28-21-13-12-20(14-22(21)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/s2
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n/an/a 1.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CHOK1 cells assessed as inhibition of D(-)-norgestrel-induced protein interaction with st...


ACS Med Chem Lett 6: 461-5 (2015)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (human))
BDBM50089631
PNG
(CHEMBL3578276)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H23FN4O5S/c1-16(18-8-10-19(27)11-9-18)31-24(32)26(36-25(31)33,15-17-6-4-3-5-7-17)23-28-21-13-12-20(14-22(21)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/s2
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n/an/a 1.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor alpha expressed in CHOK1 cells assessed as inhibition of beta-estradiol-induced protein interaction wi...


ACS Med Chem Lett 6: 461-5 (2015)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (human))
BDBM50089631
PNG
(CHEMBL3578276)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H23FN4O5S/c1-16(18-8-10-19(27)11-9-18)31-24(32)26(36-25(31)33,15-17-6-4-3-5-7-17)23-28-21-13-12-20(14-22(21)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/s2
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor beta assessed as inhibition of agonist-induced protein interaction with steroid receptor co-activator ...


ACS Med Chem Lett 6: 461-5 (2015)

More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50089631
PNG
(CHEMBL3578276)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H23FN4O5S/c1-16(18-8-10-19(27)11-9-18)31-24(32)26(36-25(31)33,15-17-6-4-3-5-7-17)23-28-21-13-12-20(14-22(21)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/s2
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n/an/a 4.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor beta expressed in human U2OS cells assessed as inhibition of D(-)-norgestrel-induced protein inter...


ACS Med Chem Lett 6: 461-5 (2015)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50089649
PNG
(CHEMBL3576977)
Show SMILES COC(=O)CNC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H21N3O7S/c1-14-7-9-15(10-8-14)33(30,31)25-13-17(16-5-3-4-6-18(16)25)21(28)22(29)24-11-19(26)23-12-20(27)32-2/h3-10,13H,11-12H2,1-2H3,(H,23,26)(H,24,29)
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n/an/a 1.04E+5n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50089646
PNG
(CHEMBL3576981)
Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1/C31H28N4O7S/c1-19-11-13-21(14-12-19)43(40,41)35-18-24(23-8-4-6-10-27(23)35)29(37)30(38)33-17-28(36)34-26(31(39)42-2)15-20-16-32-25-9-5-3-7-22(20)25/h3-14,16,18,26,32H,15,17H2,1-2H3,(H,33,38)(H,34,36)/t26-/s2
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n/an/a 9.09E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50089645
PNG
(CHEMBL3576987)
Show SMILES COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1/C31H28N4O7S/c1-19-11-13-21(14-12-19)43(40,41)35-18-24(23-8-4-6-10-27(23)35)29(37)30(38)33-17-28(36)34-26(31(39)42-2)15-20-16-32-25-9-5-3-7-22(20)25/h3-14,16,18,26,32H,15,17H2,1-2H3,(H,33,38)(H,34,36)/t26-/s2
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n/an/a 6.55E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089661
PNG
(CHEMBL3577312)
Show SMILES NCCCC[C@@H]1N[C@@H](c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1ccc2ccccc2c1
Show InChI InChI=1/C30H32N4O4/c31-15-4-3-7-24-29(36)34(16-14-19-8-12-23(35)13-9-19)26-18-25(30(37)38)33-28(26)27(32-24)22-11-10-20-5-1-2-6-21(20)17-22/h1-2,5-6,8-13,17-18,24,27,32-33,35H,3-4,7,14-16,31H2,(H,37,38)/t24-,27+/s2
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n/an/an/an/a 8.30n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide pEC50 for induction of aortic r...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089665
PNG
(CHEMBL3577309)
Show SMILES NCCCC[C@@H]1N[C@H](c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C32H34N4O4/c33-18-5-4-8-26-31(38)36(19-17-21-9-15-25(37)16-10-21)28-20-27(32(39)40)35-30(28)29(34-26)24-13-11-23(12-14-24)22-6-2-1-3-7-22/h1-3,6-7,9-16,20,26,29,34-35,37H,4-5,8,17-19,33H2,(H,39,40)/t26-,29-/s2
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n/an/an/an/a 10n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide pEC50 for induction of aortic r...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089661
PNG
(CHEMBL3577312)
Show SMILES NCCCC[C@@H]1N[C@@H](c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1ccc2ccccc2c1
Show InChI InChI=1/C30H32N4O4/c31-15-4-3-7-24-29(36)34(16-14-19-8-12-23(35)13-9-19)26-18-25(30(37)38)33-28(26)27(32-24)22-11-10-20-5-1-2-6-21(20)17-22/h1-2,5-6,8-13,17-18,24,27,32-33,35H,3-4,7,14-16,31H2,(H,37,38)/t24-,27+/s2
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n/an/an/an/a 5n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 EC50 for induction of aortic ring contrac...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089668
PNG
(CHEMBL3577305)
Show SMILES NCCCC[C@@H]1N=C(c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1ccc2ccccc2c1
Show InChI InChI=1/C30H30N4O4/c31-15-4-3-7-24-29(36)34(16-14-19-8-12-23(35)13-9-19)26-18-25(30(37)38)33-28(26)27(32-24)22-11-10-20-5-1-2-6-21(20)17-22/h1-2,5-6,8-13,17-18,24,33,35H,3-4,7,14-16,31H2,(H,37,38)/t24-/s2
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n/an/an/an/a 4n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 EC50 for induction of aortic ring contrac...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089670
PNG
(CHEMBL3577301)
Show SMILES NCCC[C@@H]1N=C(c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1/C29H28N4O4/c30-15-4-9-23-28(35)33(16-14-18-10-12-20(34)13-11-18)25-17-24(29(36)37)32-27(25)26(31-23)22-8-3-6-19-5-1-2-7-21(19)22/h1-3,5-8,10-13,17,23,32,34H,4,9,14-16,30H2,(H,36,37)/t23-/s2
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n/an/an/an/a 2.70n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 EC50 for induction of aortic ring contrac...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089671
PNG
(CHEMBL3577300)
Show SMILES NCCC[C@@H]1N=C(c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C31H30N4O4/c32-17-4-7-25-30(37)35(18-16-20-8-14-24(36)15-9-20)27-19-26(31(38)39)34-29(27)28(33-25)23-12-10-22(11-13-23)21-5-2-1-3-6-21/h1-3,5-6,8-15,19,25,34,36H,4,7,16-18,32H2,(H,38,39)/t25-/s2
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n/an/an/an/a 12n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 EC50 for induction of aortic ring contrac...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089671
PNG
(CHEMBL3577300)
Show SMILES NCCC[C@@H]1N=C(c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C31H30N4O4/c32-17-4-7-25-30(37)35(18-16-20-8-14-24(36)15-9-20)27-19-26(31(38)39)34-29(27)28(33-25)23-12-10-22(11-13-23)21-5-2-1-3-6-21/h1-3,5-6,8-15,19,25,34,36H,4,7,16-18,32H2,(H,38,39)/t25-/s2
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n/an/an/an/a 23n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide EC50 for induction of aortic ri...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089670
PNG
(CHEMBL3577301)
Show SMILES NCCC[C@@H]1N=C(c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1/C29H28N4O4/c30-15-4-9-23-28(35)33(16-14-18-10-12-20(34)13-11-18)25-17-24(29(36)37)32-27(25)26(31-23)22-8-3-6-19-5-1-2-7-21(19)22/h1-3,5-8,10-13,17,23,32,34H,4,9,14-16,30H2,(H,36,37)/t23-/s2
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n/an/an/an/a 12n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide EC50 for induction of aortic ri...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089668
PNG
(CHEMBL3577305)
Show SMILES NCCCC[C@@H]1N=C(c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1ccc2ccccc2c1
Show InChI InChI=1/C30H30N4O4/c31-15-4-3-7-24-29(36)34(16-14-19-8-12-23(35)13-9-19)26-18-25(30(37)38)33-28(26)27(32-24)22-11-10-20-5-1-2-6-21(20)17-22/h1-2,5-6,8-13,17-18,24,33,35H,3-4,7,14-16,31H2,(H,37,38)/t24-/s2
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n/an/an/an/a 21n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide EC50 for induction of aortic ri...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089661
PNG
(CHEMBL3577312)
Show SMILES NCCCC[C@@H]1N[C@@H](c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1ccc2ccccc2c1
Show InChI InChI=1/C30H32N4O4/c31-15-4-3-7-24-29(36)34(16-14-19-8-12-23(35)13-9-19)26-18-25(30(37)38)33-28(26)27(32-24)22-11-10-20-5-1-2-6-21(20)17-22/h1-2,5-6,8-13,17-18,24,27,32-33,35H,3-4,7,14-16,31H2,(H,37,38)/t24-,27+/s2
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n/an/an/an/a 8.20n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide EC50 for induction of aortic ri...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089665
PNG
(CHEMBL3577309)
Show SMILES NCCCC[C@@H]1N[C@H](c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C32H34N4O4/c33-18-5-4-8-26-31(38)36(19-17-21-9-15-25(37)16-10-21)28-20-27(32(39)40)35-30(28)29(34-26)24-13-11-23(12-14-24)22-6-2-1-3-7-22/h1-3,6-7,9-16,20,26,29,34-35,37H,4-5,8,17-19,33H2,(H,39,40)/t26-,29-/s2
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n/an/an/an/a 8.80n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 EC50 for induction of aortic ring contrac...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089671
PNG
(CHEMBL3577300)
Show SMILES NCCC[C@@H]1N=C(c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C31H30N4O4/c32-17-4-7-25-30(37)35(18-16-20-8-14-24(36)15-9-20)27-19-26(31(38)39)34-29(27)28(33-25)23-12-10-22(11-13-23)21-5-2-1-3-6-21/h1-3,5-6,8-15,19,25,34,36H,4,7,16-18,32H2,(H,38,39)/t25-/s2
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n/an/an/an/a 12n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 pEC50 for induction of aortic ring contra...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089670
PNG
(CHEMBL3577301)
Show SMILES NCCC[C@@H]1N=C(c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1/C29H28N4O4/c30-15-4-9-23-28(35)33(16-14-18-10-12-20(34)13-11-18)25-17-24(29(36)37)32-27(25)26(31-23)22-8-3-6-19-5-1-2-7-21(19)22/h1-3,5-8,10-13,17,23,32,34H,4,9,14-16,30H2,(H,36,37)/t23-/s2
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n/an/an/an/a 2.60n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 pEC50 for induction of aortic ring contra...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089668
PNG
(CHEMBL3577305)
Show SMILES NCCCC[C@@H]1N=C(c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1ccc2ccccc2c1
Show InChI InChI=1/C30H30N4O4/c31-15-4-3-7-24-29(36)34(16-14-19-8-12-23(35)13-9-19)26-18-25(30(37)38)33-28(26)27(32-24)22-11-10-20-5-1-2-6-21(20)17-22/h1-2,5-6,8-13,17-18,24,33,35H,3-4,7,14-16,31H2,(H,37,38)/t24-/s2
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n/an/an/an/a 4.70n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 pEC50 for induction of aortic ring contra...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089661
PNG
(CHEMBL3577312)
Show SMILES NCCCC[C@@H]1N[C@@H](c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1ccc2ccccc2c1
Show InChI InChI=1/C30H32N4O4/c31-15-4-3-7-24-29(36)34(16-14-19-8-12-23(35)13-9-19)26-18-25(30(37)38)33-28(26)27(32-24)22-11-10-20-5-1-2-6-21(20)17-22/h1-2,5-6,8-13,17-18,24,27,32-33,35H,3-4,7,14-16,31H2,(H,37,38)/t24-,27+/s2
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n/an/an/an/a 4.90n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 pEC50 for induction of aortic ring contra...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089665
PNG
(CHEMBL3577309)
Show SMILES NCCCC[C@@H]1N[C@H](c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C32H34N4O4/c33-18-5-4-8-26-31(38)36(19-17-21-9-15-25(37)16-10-21)28-20-27(32(39)40)35-30(28)29(34-26)24-13-11-23(12-14-24)22-6-2-1-3-7-22/h1-3,6-7,9-16,20,26,29,34-35,37H,4-5,8,17-19,33H2,(H,39,40)/t26-,29-/s2
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n/an/an/an/a 8.70n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 pEC50 for induction of aortic ring contra...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089665
PNG
(CHEMBL3577309)
Show SMILES NCCCC[C@@H]1N[C@H](c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C32H34N4O4/c33-18-5-4-8-26-31(38)36(19-17-21-9-15-25(37)16-10-21)28-20-27(32(39)40)35-30(28)29(34-26)24-13-11-23(12-14-24)22-6-2-1-3-7-22/h1-3,6-7,9-16,20,26,29,34-35,37H,4-5,8,17-19,33H2,(H,39,40)/t26-,29-/s2
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n/an/an/an/a 10n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide EC50 for induction of aortic ri...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089671
PNG
(CHEMBL3577300)
Show SMILES NCCC[C@@H]1N=C(c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C31H30N4O4/c32-17-4-7-25-30(37)35(18-16-20-8-14-24(36)15-9-20)27-19-26(31(38)39)34-29(27)28(33-25)23-12-10-22(11-13-23)21-5-2-1-3-6-21/h1-3,5-6,8-15,19,25,34,36H,4,7,16-18,32H2,(H,38,39)/t25-/s2
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n/an/an/an/a 23n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide pEC50 for induction of aortic r...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089670
PNG
(CHEMBL3577301)
Show SMILES NCCC[C@@H]1N=C(c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1/C29H28N4O4/c30-15-4-9-23-28(35)33(16-14-18-10-12-20(34)13-11-18)25-17-24(29(36)37)32-27(25)26(31-23)22-8-3-6-19-5-1-2-7-21(19)22/h1-3,5-8,10-13,17,23,32,34H,4,9,14-16,30H2,(H,36,37)/t23-/s2
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n/an/an/an/a 12n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide pEC50 for induction of aortic r...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50089668
PNG
(CHEMBL3577305)
Show SMILES NCCCC[C@@H]1N=C(c2[nH]c(cc2N(CCc2ccc(O)cc2)C1=O)C(O)=O)c1ccc2ccccc2c1
Show InChI InChI=1/C30H30N4O4/c31-15-4-3-7-24-29(36)34(16-14-19-8-12-23(35)13-9-19)26-18-25(30(37)38)33-28(26)27(32-24)22-11-10-20-5-1-2-6-21(20)17-22/h1-2,5-6,8-13,17-18,24,33,35H,3-4,7,14-16,31H2,(H,37,38)/t24-/s2
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n/an/an/an/a 21n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide pEC50 for induction of aortic r...


J Med Chem 58: 4624-37 (2015)

More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50089649
PNG
(CHEMBL3576977)
Show SMILES COC(=O)CNC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H21N3O7S/c1-14-7-9-15(10-8-14)33(30,31)25-13-17(16-5-3-4-6-18(16)25)21(28)22(29)24-11-19(26)23-12-20(27)32-2/h3-10,13H,11-12H2,1-2H3,(H,23,26)(H,24,29)
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n/an/a 1.03E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)

More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50089646
PNG
(CHEMBL3576981)
Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1/C31H28N4O7S/c1-19-11-13-21(14-12-19)43(40,41)35-18-24(23-8-4-6-10-27(23)35)29(37)30(38)33-17-28(36)34-26(31(39)42-2)15-20-16-32-25-9-5-3-7-22(20)25/h3-14,16,18,26,32H,15,17H2,1-2H3,(H,33,38)(H,34,36)/t26-/s2
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n/an/a 8.89E+3n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)

More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50089645
PNG
(CHEMBL3576987)
Show SMILES COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1/C31H28N4O7S/c1-19-11-13-21(14-12-19)43(40,41)35-18-24(23-8-4-6-10-27(23)35)29(37)30(38)33-17-28(36)34-26(31(39)42-2)15-20-16-32-25-9-5-3-7-22(20)25/h3-14,16,18,26,32H,15,17H2,1-2H3,(H,33,38)(H,34,36)/t26-/s2
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n/an/a 6.61E+3n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)

More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50089630
PNG
(CHEMBL3578277)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NC(C)=O)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C27H23FN4O4/c1-16(19-8-10-20(28)11-9-19)32-25(34)27(36-26(32)35,15-18-6-4-3-5-7-18)24-30-22-13-12-21(29-17(2)33)14-23(22)31-24/h3-14,16H,15H2,1-2H3,(H,29,33)(H,30,31)/t16-,27-/s2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)

More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50089631
PNG
(CHEMBL3578276)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H23FN4O5S/c1-16(18-8-10-19(27)11-9-18)31-24(32)26(36-25(31)33,15-17-6-4-3-5-7-17)23-28-21-13-12-20(14-22(21)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/s2
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n/an/a 220n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)

More data for this
Ligand-Target Pair